Mal-Soon Lee is a senior scientist at Pacific Northwest National Laboratory, USA. She has been working in the field of computational physics/chemistry with an emphasis on studying the phase behavior and reactivity at complex interfaces using a variety of statistical mechanical tools. Her areas of application include studies of catalysis, CO2 sequestration, nuclear waste disposal. She employs large-scale high-performance computing techniques such as ab initio molecular dynamics to understand materials’ properties and free energetics at high temperature/pressure. With statistical mechanical techniques, she calculates enthalpies/entropies of reaction, spectroscopic properties, which can be directly compared with experimental observations.